N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C19H26ClFN4O — CID 171707945

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1cc(C)n(CCNC(=O)c2cc(CC3CCNC3)ccc2F)n1.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-9-14(2)24(23-13)8-7-22-19(25)17-11-15(3-4-18(17)20)10-16-5-6-21-12-16;/h3-4,9,11,16,21H,5-8,10,12H2,1-2H3,(H,22,25);1H
InChIKeyRORJMPGUMWNDSQ-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171707945) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171707945
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1cc(C)n(CCNC(=O)c2cc(CC3CCNC3)ccc2F)n1.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-9-14(2)24(23-13)8-7-22-19(25)17-11-15(3-4-18(17)20)10-16-5-6-21-12-16;/h3-4,9,11,16,21H,5-8,10,12H2,1-2H3,(H,22,25);1H
InChIKeyRORJMPGUMWNDSQ-UHFFFAOYSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 171711219
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CID 171713385
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
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N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride
CID 171707965
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
7,8-dihydro-5H-1,6-naphthyridin-6-yl-[2-fluoro-5-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171325716
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171707945) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cc1cc(C)n(CCNC(=O)c2cc(CC3CCNC3)ccc2F)n1.Cl.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is RORJMPGUMWNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O.ClH/c1-13-9-14(2)24(23-13)8-7-22-19(25)17-11-15(3-4-18(17)20)10-16-5-6-21-12-16;/h3-4,9,11,16,21H,5-8,10,12H2,1-2H3,(H,22,25);1H.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171707945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).